ethyl N-(3-amino-2,2-dimethylcyclobutyl)carbamate

C9H18N2O2 — CID 114632504

IUPACethyl N-(3-amino-2,2-dimethylcyclobutyl)carbamate
SMILESCCOC(=O)NC1CC(N)C1(C)C
InChIInChI=1S/C9H18N2O2/c1-4-13-8(12)11-7-5-6(10)9(7,2)3/h6-7H,4-5,10H2,1-3H3,(H,11,12)
InChIKeyWURZTCKZNTZJCA-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.86
Rot. Bonds2

About ethyl N-(3-amino-2,2-dimethylcyclobutyl)carbamate

ethyl N-(3-amino-2,2-dimethylcyclobutyl)carbamate (PubChem CID 114632504) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is ethyl N-(3-amino-2,2-dimethylcyclobutyl)carbamate.

Molecular Properties

Compound Nameethyl N-(3-amino-2,2-dimethylcyclobutyl)carbamate
PubChem CID114632504
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Nameethyl N-(3-amino-2,2-dimethylcyclobutyl)carbamate
SMILESCCOC(=O)NC1CC(N)C1(C)C
InChIInChI=1S/C9H18N2O2/c1-4-13-8(12)11-7-5-6(10)9(7,2)3/h6-7H,4-5,10H2,1-3H3,(H,11,12)
InChIKeyWURZTCKZNTZJCA-UHFFFAOYSA-N
XLogP0.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylcyclobutyl)-2-methylbutanamide
CID 114632383
ethyl N-(2,2-dimethylthietan-3-yl)carbamate
CID 130725515
N-(3-amino-2,2-dimethylcyclobutyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 114632374
N-(3-amino-2,2-dimethylcyclobutyl)-4,4,4-trifluorobutanamide
CID 114632369
N-(3-amino-2,2-dimethylcyclobutyl)-2-methylcyclopentane-1-carboxamide
CID 107184778
N-(3-amino-2,2-dimethylcyclobutyl)-3,5-dimethylbenzamide
CID 114632427
N-(3-amino-2,2-dimethylcyclobutyl)-2-(3,4-dimethylphenyl)acetamide
CID 114632478
N-(3-amino-2,2-dimethylcyclobutyl)oxolane-2-carboxamide
CID 114632350
ethyl N-(4-hydroxy-4-methylcyclohexyl)carbamate
CID 22273026
N-(3-amino-2,2-dimethylcyclobutyl)-2,5-dimethylbenzamide
CID 114632412
ethyl N-[4-(2-chloroacetyl)-4-methyloxolan-3-yl]carbamate
CID 104701145
N-(3-amino-2,2-dimethylcyclobutyl)-2-(2-fluorophenyl)acetamide
CID 114632325

Frequently Asked Questions

What is the IUPAC name of ethyl N-(3-amino-2,2-dimethylcyclobutyl)carbamate?
The IUPAC name of ethyl N-(3-amino-2,2-dimethylcyclobutyl)carbamate (CID 114632504) is ethyl N-(3-amino-2,2-dimethylcyclobutyl)carbamate.
What is the SMILES notation for ethyl N-(3-amino-2,2-dimethylcyclobutyl)carbamate?
The canonical SMILES for ethyl N-(3-amino-2,2-dimethylcyclobutyl)carbamate is CCOC(=O)NC1CC(N)C1(C)C.
What is the InChIKey of ethyl N-(3-amino-2,2-dimethylcyclobutyl)carbamate?
The InChIKey is WURZTCKZNTZJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-4-13-8(12)11-7-5-6(10)9(7,2)3/h6-7H,4-5,10H2,1-3H3,(H,11,12).
What are the key properties of ethyl N-(3-amino-2,2-dimethylcyclobutyl)carbamate?
ethyl N-(3-amino-2,2-dimethylcyclobutyl)carbamate has a molecular weight of 186.25 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(3-amino-2,2-dimethylcyclobutyl)carbamate is sourced from PubChem (CID 114632504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).